methyl 3-[[azanyl-[(2-bromophenyl)-cyano-amino]methylidene]amino]-6-cyano-2-oxidanyl-benzoate

Systemtic Name: methyl 3-[[azanyl-[(2-bromophenyl)-cyano-amino]methylidene]amino]-6-cyano-2-oxidanyl-benzoate Openeye Name: methyl 3-[[amino-(2-bromo-N-cyano-anilino)methylene]amino]-6-cyano-2-hydroxy-benzoate CAS Name: 3-[[amino-(2-bromo-N-cyanoanilino)methylidene]amino]-6-cyano-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[amino-(2-bromo-N-cyanoanilino)methylidene]amino]-6-cyano-2-hydroxybenzoate Traditional Name: 3-[[amino-(2-bromo-N-cyano-anilino)methylene]amino]-6-cyano-2-hydroxy-benzoic acid methyl ester Formula: C17H12BrN5O3 MolecularWeight: 414.21288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1O)N=C(N)N(C#N)C2=CC=CC=C2Br)C#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1O)N=C(N)N(C#N)C2=CC=CC=C2Br)C#N

InChI

InChI=1S/C17H12BrN5O3/c1-26-16(25)14-10(8-19)6-7-12(15(14)24)22-17(21)23(9-20)13-5-3-2-4-11(13)18/h2-7,24H,1H3,(H2,21,22)